(2-methylphenyl) 3-[2,6-dimethyl-3-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate

Systemtic Name: (2-methylphenyl) 3-[2,6-dimethyl-3-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Openeye Name: o-tolyl 3-[3-hydroxy-2,6-dimethyl-4-(1,1,3,3-tetramethylbutyl)phenyl]propanoate CAS Name: 3-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Traditional Name: 3-[3-hydroxy-2,6-dimethyl-4-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid o-tolyl ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)CCC2=C(C(=C(C=C2C)C(C)(C)CC(C)(C)C)O)C

Isomeric SMILES

CC1=CC=CC=C1OC(=O)CCC2=C(C(=C(C=C2C)C(C)(C)CC(C)(C)C)O)C

InChI

InChI=1S/C26H36O3/c1-17-11-9-10-12-22(17)29-23(27)14-13-20-18(2)15-21(24(28)19(20)3)26(7,8)16-25(4,5)6/h9-12,15,28H,13-14,16H2,1-8H3